methyl 2-[(2S)-2-cyanopropyl]sulfanyl-4-oxidanylidene-3-phenyl-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(2S)-2-cyanopropyl]sulfanyl-4-oxidanylidene-3-phenyl-quinazoline-7-carboxylate Openeye Name: methyl 2-[(2S)-2-cyanopropyl]sulfanyl-4-oxo-3-phenyl-quinazoline-7-carboxylate CAS Name: 2-[[(2S)-2-cyanopropyl]thio]-4-oxo-3-phenyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2S)-2-cyanopropyl]sulfanyl-4-oxo-3-phenylquinazoline-7-carboxylate Traditional Name: 2-[[(2S)-2-cyanopropyl]thio]-4-keto-3-phenyl-quinazoline-7-carboxylic acid methyl ester Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1C3=CC=CC=C3)C#N

Isomeric SMILES

C[C@H](CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1C3=CC=CC=C3)C#N

InChI

InChI=1S/C20H17N3O3S/c1-13(11-21)12-27-20-22-17-10-14(19(25)26-2)8-9-16(17)18(24)23(20)15-6-4-3-5-7-15/h3-10,13H,12H2,1-2H3/t13-/m0/s1